期刊
CHEMICAL PHYSICS LETTERS
卷 445, 期 1-3, 页码 12-16出版社
ELSEVIER
DOI: 10.1016/j.cplett.2007.07.035
关键词
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We report fully-quantum, close-coupling (CC) calculations of inelastic integral cross sections of hydroxyl radical collisions with He, based on a recent RCCSD(T) potential energy surface. We compare with experimental calculated integral cross sections for a collision energy of 394 cm(-1). The excellent agreement confirms the accuracy of the potential energy surfaces. Scattering calculations, which take into account the fine-structure of the OH radical, are done on a grid of collision energies large enough to ensure converged state-to-state rate coefficients for temperatures ranging from I K up to 500 K. The calculated cross sections and rate coefficients exhibit sizeable, parity-dependent propensities. (C) 2007 Elsevier B.V. All rights reserved.
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